#include <integrals_2el.h>
◆ Params()
◆ exchange_box_size
◆ fmm_box_size
◆ fmm_branch_splitter_extent_1
ergo_real JK::Params::fmm_branch_splitter_extent_1 |
◆ fmm_branch_splitter_extent_2
ergo_real JK::Params::fmm_branch_splitter_extent_2 |
◆ fmm_branch_splitter_extent_3
ergo_real JK::Params::fmm_branch_splitter_extent_3 |
◆ fmm_branch_splitter_extent_4
ergo_real JK::Params::fmm_branch_splitter_extent_4 |
◆ fmm_branch_splitter_extent_5
ergo_real JK::Params::fmm_branch_splitter_extent_5 |
◆ fmm_no_of_branches
int JK::Params::fmm_no_of_branches |
◆ multipole_threshold_factor
ergo_real JK::Params::multipole_threshold_factor |
◆ noOfThreads_J
int JK::Params::noOfThreads_J |
◆ noOfThreads_K
int JK::Params::noOfThreads_K |
◆ threshold_J
Referenced by compute_J_by_boxes(), compute_J_by_boxes_linear(), compute_J_by_boxes_sparse(), Jworker::ComputeMatrix(), Jworkertest::ComputeMatrix(), SCF_general::do_SCF_iterations(), execute_joblist_J_fmm_shared(), get_2e_matrices_and_energy_sparse_unrestricted(), get_2e_matrix_and_energy_sparse(), get_energy(), jkparams_set_from_vars(), main(), and Ergo::registerInputVariables().
◆ threshold_K
Referenced by compute_2e_matrix_exchange(), compute_K_by_boxes(), Kworker::ComputeMatrix(), create_CSR_for_K(), SCF_general::do_SCF_iterations(), get_2e_matrices_and_energy_sparse_unrestricted(), get_2e_matrix_and_energy_sparse(), get_energy(), jkparams_set_from_vars(), main(), and Ergo::registerInputVariables().
◆ use_differential_density
int JK::Params::use_differential_density |
◆ use_fmm
◆ use_naive_fockmat_constr
int JK::Params::use_naive_fockmat_constr |
The documentation for this struct was generated from the following file: